2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one

C121H134FN25O5 — CID 158695883

IUPAC2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)C(C)(C)C.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)CCc1ccccc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)Cc1ccccc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)c1ccccc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)c1ccccc1F
InChIInChI=1S/C26H29N5O.C25H27N5O.C24H24FN5O.C24H25N5O.C22H29N5O/c1-19-15-21(11-14-31(19)26(32)10-7-20-5-3-2-4-6-20)18-30-13-12-24-25(30)9-8-23(29-24)22-16-27-28-17-22;1-18-13-20(9-12-30(18)25(31)14-19-5-3-2-4-6-19)17-29-11-10-23-24(29)8-7-22(28-23)21-15-26-27-16-21;1-16-12-17(8-11-30(16)24(31)19-4-2-3-5-20(19)25)15-29-10-9-22-23(29)7-6-21(28-22)18-13-26-27-14-18;1-17-13-18(9-12-29(17)24(30)19-5-3-2-4-6-19)16-28-11-10-22-23(28)8-7-21(27-22)20-14-25-26-15-20;1-15-11-16(7-10-27(15)21(28)22(2,3)4)14-26-9-8-19-20(26)6-5-18(25-19)17-12-23-24-13-17/h2-6,8-9,12-13,16-17,19,21H,7,10-11,14-15,18H2,1H3,(H,27,28);2-8,10-11,15-16,18,20H,9,12-14,17H2,1H3,(H,26,27);2-7,9-10,13-14,16-17H,8,11-12,15H2,1H3,(H,26,27);2-8,10-11,14-15,17-18H,9,12-13,16H2,1H3,(H,25,26);5-6,8-9,12-13,15-16H,7,10-11,14H2,1-4H3,(H,23,24)
InChIKeyIGXYPEBGYPFCKP-UHFFFAOYSA-N
MW2037.57 g/mol
LogP21.96
Rot. Bonds22

About 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one

2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 158695883) has the molecular formula C121H134FN25O5 and a molecular weight of 2037.57 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID158695883
Molecular FormulaC121H134FN25O5
Molecular Weight2037.57 g/mol
Exact Mass2036.10
IUPAC Name2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)C(C)(C)C.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)CCc1ccccc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)Cc1ccccc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)c1ccccc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)c1ccccc1F
InChIInChI=1S/C26H29N5O.C25H27N5O.C24H24FN5O.C24H25N5O.C22H29N5O/c1-19-15-21(11-14-31(19)26(32)10-7-20-5-3-2-4-6-20)18-30-13-12-24-25(30)9-8-23(29-24)22-16-27-28-17-22;1-18-13-20(9-12-30(18)25(31)14-19-5-3-2-4-6-19)17-29-11-10-23-24(29)8-7-22(28-23)21-15-26-27-16-21;1-16-12-17(8-11-30(16)24(31)19-4-2-3-5-20(19)25)15-29-10-9-22-23(29)7-6-21(28-22)18-13-26-27-14-18;1-17-13-18(9-12-29(17)24(30)19-5-3-2-4-6-19)16-28-11-10-22-23(28)8-7-21(27-22)20-14-25-26-15-20;1-15-11-16(7-10-27(15)21(28)22(2,3)4)14-26-9-8-19-20(26)6-5-18(25-19)17-12-23-24-13-17/h2-6,8-9,12-13,16-17,19,21H,7,10-11,14-15,18H2,1H3,(H,27,28);2-8,10-11,15-16,18,20H,9,12-14,17H2,1H3,(H,26,27);2-7,9-10,13-14,16-17H,8,11-12,15H2,1H3,(H,26,27);2-8,10-11,14-15,17-18H,9,12-13,16H2,1H3,(H,25,26);5-6,8-9,12-13,15-16H,7,10-11,14H2,1-4H3,(H,23,24)
InChIKeyIGXYPEBGYPFCKP-UHFFFAOYSA-N
XLogP21.96
TPSA334.05 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms152
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002037.57
LogP ≤ 521.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 158695883) is 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one is CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)C(C)(C)C.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)CCc1ccccc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)Cc1ccccc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)c1ccccc1.CC1CC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CCN1C(=O)c1ccccc1F.
What is the InChIKey of 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is IGXYPEBGYPFCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O.C25H27N5O.C24H24FN5O.C24H25N5O.C22H29N5O/c1-19-15-21(11-14-31(19)26(32)10-7-20-5-3-2-4-6-20)18-30-13-12-24-25(30)9-8-23(29-24)22-16-27-28-17-22;1-18-13-20(9-12-30(18)25(31)14-19-5-3-2-4-6-19)17-29-11-10-23-24(29)8-7-22(28-23)21-15-26-27-16-21;1-16-12-17(8-11-30(16)24(31)19-4-2-3-5-20(19)25)15-29-10-9-22-23(29)7-6-21(28-22)18-13-26-27-14-18;1-17-13-18(9-12-29(17)24(30)19-5-3-2-4-6-19)16-28-11-10-22-23(28)8-7-21(27-22)20-14-25-26-15-20;1-15-11-16(7-10-27(15)21(28)22(2,3)4)14-26-9-8-19-20(26)6-5-18(25-19)17-12-23-24-13-17/h2-6,8-9,12-13,16-17,19,21H,7,10-11,14-15,18H2,1H3,(H,27,28);2-8,10-11,15-16,18,20H,9,12-14,17H2,1H3,(H,26,27);2-7,9-10,13-14,16-17H,8,11-12,15H2,1H3,(H,26,27);2-8,10-11,14-15,17-18H,9,12-13,16H2,1H3,(H,25,26);5-6,8-9,12-13,15-16H,7,10-11,14H2,1-4H3,(H,23,24).
What are the key properties of 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one?
2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 2037.57 g/mol, XLogP of 21.96, 22 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]propan-1-one;(2-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-2-phenylethanone;[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-phenylmethanone;1-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 158695883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).